tert-butyl (4S,6R)-6-(iodanylmethyl)-1,6-dimethyl-2-methylsulfanyl-4,5-dihydropyrimidine-4-carboxylate

Systemtic Name: tert-butyl (4S,6R)-6-(iodanylmethyl)-1,6-dimethyl-2-methylsulfanyl-4,5-dihydropyrimidine-4-carboxylate Openeye Name: tert-butyl (4S,6R)-6-(iodomethyl)-1,6-dimethyl-2-methylsulfanyl-4,5-dihydropyrimidine-4-carboxylate CAS Name: (4S,6R)-6-(iodomethyl)-1,6-dimethyl-2-(methylthio)-4,5-dihydropyrimidine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,6R)-6-(iodomethyl)-1,6-dimethyl-2-methylsulfanyl-4,5-dihydropyrimidine-4-carboxylate Traditional Name: (4S,6R)-6-(iodomethyl)-1,6-dimethyl-2-(methylthio)-4,5-dihydropyrimidine-4-carboxylic acid tert-butyl ester Formula: C13H23IN2O2S MolecularWeight: 398.30339

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N=C(N1C)SC)C(=O)OC(C)(C)C)CI

Isomeric SMILES

C[C@@]1(C[C@H](N=C(N1C)SC)C(=O)OC(C)(C)C)CI

InChI

InChI=1S/C13H23IN2O2S/c1-12(2,3)18-10(17)9-7-13(4,8-14)16(5)11(15-9)19-6/h9H,7-8H2,1-6H3/t9-,13+/m0/s1